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Compare Calculated Bonds for O-O

17 01 10 14 40

B2PLYP=FULLultrafine/6-31G*

Histogram of Bond lengths (in Å) vs number of species


Values greater than 1.70 are in the 1.70 bin. Values less than 1.15 are in the 1.15 bin.

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1.15 1.20 1.25 1.30 1.35 1.40 1.45 1.50 1.55 1.60 1.65 1.70
bond lengths (Å)

Summary: (Å)
Average bond length Standard deviation
1.390 0.136

  Species Name Bond Length (Å)
Lowest value FOO+ Fluorine dioxide cation 1.154
Highest value O2-- dioxygen dianion 1.626

Calculated Bond lengths
Click on entry for all calculated results.
Species Name Bond Length (Å) Atom1 index Atom2 index
O2-- dioxygen dianion 1.626 1 2
O2 Oxygen diatomic 1.226 1 2
HO2 Hydroperoxy radical 1.333 1 2
H2O2 Hydrogen peroxide 1.461 1 2
H2OO water oxide 1.553 1 2
LiO2 Lithium dioxide 1.367 2 3
NaO2 Sodium superoxide 1.369 2 3
FOO+ Fluorine dioxide cation 1.154 1 2
BrOO Bromine dioxide 1.224 2 3
CH2O2 Dioxirane 1.521 4 5
HOONO2 peroxy nitric acid 1.412 2 3
C3H8O2 Hydroperoxide, 1-methylethyl 1.438 1 3